2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide

C26H22F3N5O3 — CID 46864508

IUPAC2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C26H22F3N5O3/c1-15(35)32-23(9-17-10-30-22-5-3-2-4-20(17)22)25(36)31-11-19-13-34-12-18(16-6-7-37-14-16)8-21(24(34)33-19)26(27,28)29/h2-8,10,12-14,23,30H,9,11H2,1H3,(H,31,36)(H,32,35)
InChIKeyJIJQLZDBACDONN-UHFFFAOYSA-N
MW509.49 g/mol
LogP4.46
Rot. Bonds7

About 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 46864508) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID46864508
Molecular FormulaC26H22F3N5O3
Molecular Weight509.49 g/mol
Exact Mass509.17
IUPAC Name2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C26H22F3N5O3/c1-15(35)32-23(9-17-10-30-22-5-3-2-4-20(17)22)25(36)31-11-19-13-34-12-18(16-6-7-37-14-16)8-21(24(34)33-19)26(27,28)29/h2-8,10,12-14,23,30H,9,11H2,1H3,(H,31,36)(H,32,35)
InChIKeyJIJQLZDBACDONN-UHFFFAOYSA-N
XLogP4.46
TPSA104.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide (CID 46864508) is 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is JIJQLZDBACDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c1-15(35)32-23(9-17-10-30-22-5-3-2-4-20(17)22)25(36)31-11-19-13-34-12-18(16-6-7-37-14-16)8-21(24(34)33-19)26(27,28)29/h2-8,10,12-14,23,30H,9,11H2,1H3,(H,31,36)(H,32,35).
What are the key properties of 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 509.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 46864508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).